(3S)-1-(2-methoxy-5-methyl-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2-methoxy-5-methyl-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2-methoxy-5-methyl-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2-methoxy-5-methylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H28N4O4/c1-16-3-5-20(30-2)19(11-16)27-15-18(12-22(27)28)23(29)25-14-17-4-6-21(24-13-17)26-7-9-31-10-8-26/h3-6,11,13,18H,7-10,12,14-15H2,1-2H3,(H,25,29)/p+1/t18-/m0/s1